CID 3051360

67441-19-4

Structural Information

Molecular Formula
C16H29NO6
SMILES
CC1(OC[C@@H](O1)[C@@H]2[C@@H](C3C(O2)OC(O3)(C)C)OCCN(C)C)C
InChI
InChI=1S/C16H29NO6/c1-15(2)19-9-10(21-15)11-12(18-8-7-17(5)6)13-14(20-11)23-16(3,4)22-13/h10-14H,7-9H2,1-6H3/t10-,11-,12+,13?,14?/m1/s1
InChIKey
XDRXOQSVOLHAPG-BFKVFCTQSA-N
Compound name
2-[[(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1995 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.20678 175.0
[M+Na]+ 354.18872 181.2
[M-H]- 330.19222 186.3
[M+NH4]+ 349.23332 192.7
[M+K]+ 370.16266 186.1
[M+H-H2O]+ 314.19676 175.1
[M+HCOO]- 376.19770 190.7
[M+CH3COO]- 390.21335 214.4
[M+Na-2H]- 352.17417 177.4
[M]+ 331.19895 183.1
[M]- 331.20005 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.